@<TRIPOS>MOLECULE
BindingDB_19770
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -21.2026   -5.4298   36.0815  C     
2    C       -21.9359   -4.1630   36.1486  C     
3    C       -23.6145   -4.5774   34.1713  C     
4    C       -22.9551   -5.7829   33.4492  C     
5    C       -21.0048   -6.2262   34.8863  C     
6    O       -20.8245   -5.9185   37.1467  O     
7    N       -22.2607   -6.6685   34.3458  N     
8    C       -24.2329   -8.8280   34.2753  C     
9    C       -26.1023   -8.7886   32.7852  C     
10   C       -24.1788  -10.2368   34.2032  C     
11   C       -25.0992  -10.9136   33.3779  C     
12   C       -26.0661  -10.1882   32.6579  C     
13   N       -25.1861   -8.1680   33.5706  N     
14   S       -23.1150   -7.8691   35.2032  S     
15   O       -22.0839   -8.8746   35.8809  O     
16   O       -23.9001   -7.2049   36.4157  O     
17   N       -21.2396   -3.0901   36.8112  N     
18   C       -19.9567   -2.9334   37.1005  C     
19   O       -19.0939   -3.7083   36.7007  O     
20   C       -19.5136   -1.7491   37.8150  C     
21   C       -20.4183   -1.2691   38.9982  C     
22   C       -20.9834   -2.3664   39.9601  C     
23   C       -19.8704   -3.1408   40.7174  C     
24   C       -22.0056   -1.7607   40.9600  C     
25   N       -19.4531   -0.7112   36.8274  N     
26   C       -18.3778   -0.2298   36.2212  C     
27   O       -17.2526   -0.6314   36.4974  O     
28   C       -18.5050    0.7441   35.2518  C     
29   C       -19.6806    1.3739   34.8343  C     
30   O       -17.4607    1.2643   34.5501  O     
31   C       -17.9442    2.2065   33.7068  C     
32   C       -19.3245    2.2992   33.8708  C     
33   C       -20.0884    3.2162   33.1311  C     
34   C       -19.4221    4.0335   32.1937  C     
35   C       -18.0208    3.9454   32.0227  C     
36   C       -17.2703    3.0277   32.7873  C     
37   C       -22.6306   -3.5771   34.8600  C     
38   C       -21.6910   -2.8516   33.8495  C     
39   H       -22.7619   -4.3923   36.8302  H     
40   H       -24.2132   -4.0235   33.4417  H     
41   H       -24.3140   -4.9601   34.9180  H     
42   H       -23.7179   -6.3255   32.8955  H     
43   H       -22.2735   -5.4062   32.6813  H     
44   H       -20.4309   -5.6461   34.1623  H     
45   H       -20.3847   -7.0948   35.1070  H     
46   H       -26.7870   -8.2318   32.2738  H     
47   H       -23.4771  -10.7698   34.7224  H     
48   H       -25.0535  -11.9307   33.2920  H     
49   H       -26.7228  -10.6701   32.0419  H     
50   H       -21.8154   -2.3603   37.0895  H     
51   H       -18.5188   -1.9562   38.2243  H     
52   H       -19.8506   -0.5446   39.5956  H     
53   H       -21.2726   -0.7247   38.5794  H     
54   H       -21.5374   -3.0978   39.3635  H     
55   H       -19.2011   -3.6342   40.0143  H     
56   H       -20.3139   -3.9105   41.3508  H     
57   H       -19.2864   -2.4636   41.3441  H     
58   H       -21.5073   -1.0904   41.6644  H     
59   H       -22.5040   -2.5535   41.5232  H     
60   H       -22.7768   -1.1942   40.4310  H     
61   H       -20.3103   -0.3638   36.5256  H     
62   H       -20.6279    1.2076   35.1762  H     
63   H       -21.1004    3.2849   33.2643  H     
64   H       -19.9598    4.6898   31.6297  H     
65   H       -17.5518    4.5468   31.3400  H     
66   H       -16.2570    2.9575   32.6732  H     
67   H       -23.2787   -2.7738   35.2343  H     
68   H       -21.1942   -2.0063   34.3259  H     
69   H       -22.2812   -2.4578   33.0194  H     
70   H       -20.9271   -3.5089   33.4448  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 2
     4    2   17 1
     5    2   37 1
     6    3    4 1
     7    3   37 1
     8    4    7 1
     9    5    7 1
    10    7   14 1
    11    8   10 2
    12    8   13 1
    13    8   14 1
    14    9   12 1
    15    9   13 2
    16   10   11 1
    17   11   12 2
    18   14   15 2
    19   14   16 2
    20   17   18 am
    21   18   19 2
    22   18   20 1
    23   20   21 1
    24   20   25 1
    25   21   22 1
    26   22   23 1
    27   22   24 1
    28   25   26 am
    29   26   27 2
    30   26   28 1
    31   28   29 2
    32   28   30 1
    33   29   32 1
    34   30   31 1
    35   31   32 2
    36   31   36 1
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   35   36 2
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    4   42 1
    46    4   43 1
    47    5   44 1
    48    5   45 1
    49    9   46 1
    50   10   47 1
    51   11   48 1
    52   12   49 1
    53   17   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   23   57 1
    61   24   58 1
    62   24   59 1
    63   24   60 1
    64   25   61 1
    65   29   62 1
    66   33   63 1
    67   34   64 1
    68   35   65 1
    69   36   66 1
    70   37   67 1
    71   38   68 1
    72   38   69 1
    73   38   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1582
  Crash		| -1.7364
  Polar		| 0.0243
  FragIndex	| 1
  FragRMSD	| 1.066